pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.01	AttenGpKa training set	1	0	Cn1cc2cc([N+](=O)[O-])ccc2[nH+]1	Cn1cc2cc([N+](=O)[O-])ccc2n1	mol26459	Cn1cc2cc([N+](=O)[O-])ccc2n1